SCHEMBL6582625

SCHEMBL6582625

OCC(O)Cc1nccn1CCCCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.49
EPHX2 P34913 1/20 0.49
MAPT P10636 1/20 0.45
HMOX1 P09601 1/20 0.45
BCHE P06276 2/20 0.42
SIGMAR1 Q99720 1/20 0.42
MMP12 P39900 1/20 0.41
MGLL Q99685 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
ALOX5 P09917 1/20 0.39
F2 P00734 1/20 0.38
KCNH2 Q12809 1/20 0.38
GRIN2B Q13224 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6583968 0.87 CYP4F2 (0.48) LTA4HEPHX2MAPTBCHEMGLL
SCHEMBL5751594 0.86 LTA4H (0.58) LTA4HEPHX2MAPTHMOX1BCHE
SCHEMBL6580542 0.84 GAA (0.36)
SCHEMBL6582303 0.82 LTA4H (0.59) LTA4HEPHX2MAPTHMOX1BCHE
SCHEMBL6585734 0.77 HTR7 (0.40) MGLL
SCHEMBL6584346 0.76 ERBB2 (0.46) FFAR1
SCHEMBL6584353 0.76 ERBB2 (0.46) FFAR1
SCHEMBL6030671 0.75 HSP90AA1 (0.44) SIGMAR1MGLL
SCHEMBL6843650 0.75 MAPT (0.45) LTA4HEPHX2MAPTHMOX1FFAR1
SCHEMBL6583955 0.75 ERBB2 (0.54) FFAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138160-A1 Preventive/therapeutic method for cancer TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-15 US disclosed
US-20040116330-A1 Diagnosing or specifying a growth factor receptor expressed in cancer cells, and selectively inhibiting all or a part of the growth factor receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-17 US disclosed
CN-1487936-A Medicinal compositions having improved absorbability ����ҩƷ��ҵ��ʽ���� 2004-04-07 CN disclosed
CN-1487935-A Improved water-soluble pharmaceutical compositions ����ҩƷ��ҵ��ʽ���� 2004-04-07 CN disclosed
US-6716863-B2 TYROSINE KINASE INHIBITORS; ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-06 US disclosed
US-20040058956-A1 Pharmaceutical composition having an improved water solubility TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2004-03-25 US disclosed
US-20040053972-A1 Medicinal compositions having improved absorbability TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2004-03-18 US disclosed
US-20040024035-A1 Heterocyclic compounds, their production and use TASAKA AKIHIRO (JP) 2004-02-05 US disclosed
EP-1350792-A1 MEDICINAL COMPOSITIONS IMPROVED IN SOLUBLITY IN WATER Takeda Chemical Industries, Ltd. (JP) 2003-10-08 EP disclosed
EP-1350793-A1 MEDICINAL COMPOSITIONS HAVING IMPROVED ABSORBABILITY Takeda Chemical Industries, Ltd. (JP) 2003-10-08 EP disclosed
CN-1444582-A Heterocyclic compound, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-09-24 CN disclosed
US-20020173526-A1 Heterocyclic compounds their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040024035-A1 Heterocyclic compounds, their production and use ABL1, ROS1, MAPK1 LTA4H 4088/4885EPHX2 2703/4885MAPT 4296/4885
US-20020173526-A1 Heterocyclic compounds their production and use ABL1, ROS1, MAPK1 LTA4H 4252/4885EPHX2 2963/4885MAPT 4272/4885
US-20040058956-A1 Pharmaceutical composition having an improved water solubility ERBB2, EGFR, ABCG2 LTA4H 2521/4885EPHX2 2983/4885MAPT 649/4885
US-20040138160-A1 Preventive/therapeutic method for cancer EGFR, ERBB2, ERBB3 LTA4H 3586/4885EPHX2 1905/4885MAPT 4086/4885
US-20040053972-A1 Medicinal compositions having improved absorbability EGFR, ERBB2, ERBB3 LTA4H 1860/4885EPHX2 3048/4885MAPT 642/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.